Molecule ID: mol21332
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(Br)c(N)cc12
InChI: InChI=1S/C21H19BrN4O3S/c1-29-20-9-12(26-30(2,27)28)7-8-18(20)25-21-13-5-3-4-6-17(13)24-19-11-15(22)16(23)10-14(19)21/h3-11,26H,23H2,1-2H3,(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.01 | Baltruschat ChEMBL | 1 » 0 |